2-butoxy-1H-imidazol-5-amine

C7H13N3O — CID 155046336

IUPAC2-butoxy-1H-imidazol-5-amine
SMILESCCCCOc1ncc(N)[nH]1
InChIInChI=1S/C7H13N3O/c1-2-3-4-11-7-9-5-6(8)10-7/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyTXAWXVYFOSNRDW-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.17
Rot. Bonds4

About 2-butoxy-1H-imidazol-5-amine

2-butoxy-1H-imidazol-5-amine (PubChem CID 155046336) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-butoxy-1H-imidazol-5-amine.

Molecular Properties

Compound Name2-butoxy-1H-imidazol-5-amine
PubChem CID155046336
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-butoxy-1H-imidazol-5-amine
SMILESCCCCOc1ncc(N)[nH]1
InChIInChI=1S/C7H13N3O/c1-2-3-4-11-7-9-5-6(8)10-7/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyTXAWXVYFOSNRDW-UHFFFAOYSA-N
XLogP1.17
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-hexadecoxy-1H-pyrimidin-6-one
CID 13061618
2-decoxy-5-fluoro-1H-pyrimidin-6-one
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1-(5-amino-1H-imidazol-2-yl)hexan-1-one
CID 174269725
2-butoxy-3,5-dichloropyridin-4-amine
CID 21388649
4-butoxy-5-methyl-1H-pyrazole
CID 177070453
5-amino-2-ethoxy-1H-pyrimidine-6-thione
CID 119098426
5-octoxypyridin-2-amine
CID 43126983
5-butoxyoxadiazole
CID 173150987
5-heptoxy-1H-1,2,4-triazole
CID 67915767
2-octoxypyrimidin-5-amine
CID 61145971
2-(3-butoxycyclobutyl)pyrimidin-5-amine
CID 171578987
5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine
CID 102536146

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1H-imidazol-5-amine?
The IUPAC name of 2-butoxy-1H-imidazol-5-amine (CID 155046336) is 2-butoxy-1H-imidazol-5-amine.
What is the SMILES notation for 2-butoxy-1H-imidazol-5-amine?
The canonical SMILES for 2-butoxy-1H-imidazol-5-amine is CCCCOc1ncc(N)[nH]1.
What is the InChIKey of 2-butoxy-1H-imidazol-5-amine?
The InChIKey is TXAWXVYFOSNRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-3-4-11-7-9-5-6(8)10-7/h5H,2-4,8H2,1H3,(H,9,10).
What are the key properties of 2-butoxy-1H-imidazol-5-amine?
2-butoxy-1H-imidazol-5-amine has a molecular weight of 155.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1H-imidazol-5-amine is sourced from PubChem (CID 155046336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).